BDBM50098524 4-Phenylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL267456

SMILES: NC(=O)c1cc2c(Sc3ccccc3)cncc2s1

InChI Key: InChIKey=ZNHBQYSWUBQOHO-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50098524   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
VCAM-1 (Homo sapiens (Human))	BDBM50098524 (4-Phenylsulfanyl-thieno[2,3-c]pyridine-2-carboxyli...) Show SMILES NC(=O)c1cc2c(Sc3ccccc3)cncc2s1 Show InChI InChI=1S/C14H10N2OS2/c15-14(17)11-6-10-12(7-16-8-13(10)19-11)18-9-4-2-1-3-5-9/h1-8H,(H2,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro potency against TNF alpha induced expresion of VCAM-1 on human vascular endothelial cells using CAM ELISA assay				J Med Chem 44: 988-1002 (2001) BindingDB Entry DOI: 10.7270/Q2CF9PC4
					More data for this Ligand-Target Pair
Selectin E (Homo sapiens (Human))	BDBM50098524 (4-Phenylsulfanyl-thieno[2,3-c]pyridine-2-carboxyli...) Show SMILES NC(=O)c1cc2c(Sc3ccccc3)cncc2s1 Show InChI InChI=1S/C14H10N2OS2/c15-14(17)11-6-10-12(7-16-8-13(10)19-11)18-9-4-2-1-3-5-9/h1-8H,(H2,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay				J Med Chem 44: 988-1002 (2001) BindingDB Entry DOI: 10.7270/Q2CF9PC4
					More data for this Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50098524 (4-Phenylsulfanyl-thieno[2,3-c]pyridine-2-carboxyli...) Show SMILES NC(=O)c1cc2c(Sc3ccccc3)cncc2s1 Show InChI InChI=1S/C14H10N2OS2/c15-14(17)11-6-10-12(7-16-8-13(10)19-11)18-9-4-2-1-3-5-9/h1-8H,(H2,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay				J Med Chem 44: 988-1002 (2001) BindingDB Entry DOI: 10.7270/Q2CF9PC4
					More data for this Ligand-Target Pair